2-(2,4-dimethoxy-3-methylphenyl)-N-(hydrazinylmethyl)-N-methylethanamine

C13H23N3O2 — CID 115261302

IUPAC2-(2,4-dimethoxy-3-methylphenyl)-N-(hydrazinylmethyl)-N-methylethanamine
SMILESCOc1ccc(CCN(C)CNN)c(OC)c1C
InChIInChI=1S/C13H23N3O2/c1-10-12(17-3)6-5-11(13(10)18-4)7-8-16(2)9-15-14/h5-6,15H,7-9,14H2,1-4H3
InChIKeyYBKOXADTYFEQIC-UHFFFAOYSA-N
MW253.35 g/mol
LogP0.91
Rot. Bonds7

About 2-(2,4-dimethoxy-3-methylphenyl)-N-(hydrazinylmethyl)-N-methylethanamine

2-(2,4-dimethoxy-3-methylphenyl)-N-(hydrazinylmethyl)-N-methylethanamine (PubChem CID 115261302) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-(2,4-dimethoxy-3-methylphenyl)-N-(hydrazinylmethyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(2,4-dimethoxy-3-methylphenyl)-N-(hydrazinylmethyl)-N-methylethanamine
PubChem CID115261302
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name2-(2,4-dimethoxy-3-methylphenyl)-N-(hydrazinylmethyl)-N-methylethanamine
SMILESCOc1ccc(CCN(C)CNN)c(OC)c1C
InChIInChI=1S/C13H23N3O2/c1-10-12(17-3)6-5-11(13(10)18-4)7-8-16(2)9-15-14/h5-6,15H,7-9,14H2,1-4H3
InChIKeyYBKOXADTYFEQIC-UHFFFAOYSA-N
XLogP0.91
TPSA59.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(2,4-dimethoxy-3-methylphenyl)-N-(hydrazinylmethyl)-N-methylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(hydrazinylmethyl)-2-(2-methoxy-4,5-dimethylphenyl)-N-methylethanamine
CID 115261266
2-(2,4-dimethoxy-3-methylphenyl)ethyl-methylcyanamide
CID 117043515
[2-(4-methoxy-2,3-dimethylphenyl)ethyl-methylamino]methanol
CID 115229495
N-(hydrazinylmethyl)-2-(2-methoxy-5-propan-2-ylphenyl)-N-methylethanamine
CID 115261259
4-[2-(4-methoxy-2,3-dimethylphenyl)ethyl-methylamino]butan-2-one
CID 115236061
1-ethyl-2,4-dimethoxy-3-methylbenzene
CID 524865
2-(3-fluoro-4-methoxyphenyl)-N-(hydrazinylmethyl)-N-methylethanamine
CID 115261243
1-N-[2-(2,4-dimethoxy-3-methylphenyl)ethyl]-2-methylpropane-1,2-diamine
CID 115136159
N-methyl-N-[2-(2,3,4-trimethoxyphenyl)ethyl]nitrous amide
CID 46930718
2-(4-methoxy-2,3-dimethylphenyl)ethyl-methylcyanamide
CID 117043513
N'-[(2,4-dimethoxy-3-methylphenyl)methyl]-N-methylmethanediamine
CID 115226861
N-[2-(2,4-dimethoxy-3-methylphenyl)ethyl]propane-1-sulfonamide
CID 110789714

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxy-3-methylphenyl)-N-(hydrazinylmethyl)-N-methylethanamine?
The IUPAC name of 2-(2,4-dimethoxy-3-methylphenyl)-N-(hydrazinylmethyl)-N-methylethanamine (CID 115261302) is 2-(2,4-dimethoxy-3-methylphenyl)-N-(hydrazinylmethyl)-N-methylethanamine.
What is the SMILES notation for 2-(2,4-dimethoxy-3-methylphenyl)-N-(hydrazinylmethyl)-N-methylethanamine?
The canonical SMILES for 2-(2,4-dimethoxy-3-methylphenyl)-N-(hydrazinylmethyl)-N-methylethanamine is COc1ccc(CCN(C)CNN)c(OC)c1C.
What is the InChIKey of 2-(2,4-dimethoxy-3-methylphenyl)-N-(hydrazinylmethyl)-N-methylethanamine?
The InChIKey is YBKOXADTYFEQIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-10-12(17-3)6-5-11(13(10)18-4)7-8-16(2)9-15-14/h5-6,15H,7-9,14H2,1-4H3.
What are the key properties of 2-(2,4-dimethoxy-3-methylphenyl)-N-(hydrazinylmethyl)-N-methylethanamine?
2-(2,4-dimethoxy-3-methylphenyl)-N-(hydrazinylmethyl)-N-methylethanamine has a molecular weight of 253.35 g/mol, XLogP of 0.91, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxy-3-methylphenyl)-N-(hydrazinylmethyl)-N-methylethanamine is sourced from PubChem (CID 115261302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).